4-(4-methoxyphenyl)-5-(3-methyl-2-nitro-phenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-methoxyphenyl)-5-(3-methyl-2-nitro-phenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-methoxyphenyl)-5-(3-methyl-2-nitro-phenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-methoxyphenyl)-5-(3-methyl-2-nitrophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-methoxyphenyl)-5-(3-methyl-2-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-methoxyphenyl)-5-(3-methyl-2-nitro-phenyl)-1,2,4-triazole-3-thiolate Formula: C16H13N4O3S- MolecularWeight: 341.36442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C2=NN=C(N2C3=CC=C(C=C3)OC)[S-]

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C2=NN=C(N2C3=CC=C(C=C3)OC)[S-]

InChI

InChI=1S/C16H14N4O3S/c1-10-4-3-5-13(14(10)20(21)22)15-17-18-16(24)19(15)11-6-8-12(23-2)9-7-11/h3-9H,1-2H3,(H,18,24)/p-1